6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine

C10H14ClF3N6O — CID 118166188

IUPAC6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCN(CCOC(F)(F)F)CC2)nnc1Cl
InChIInChI=1S/C10H14ClF3N6O/c11-7-8(15)16-9(18-17-7)20-3-1-19(2-4-20)5-6-21-10(12,13)14/h1-6H2,(H2,15,16,18)
InChIKeyGVSHAZUWUMBJMN-UHFFFAOYSA-N
MW326.71 g/mol
LogP0.77
Rot. Bonds4

About 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine

6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 118166188) has the molecular formula C10H14ClF3N6O and a molecular weight of 326.71 g/mol. Its IUPAC name is 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID118166188
Molecular FormulaC10H14ClF3N6O
Molecular Weight326.71 g/mol
Exact Mass326.09
IUPAC Name6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCN(CCOC(F)(F)F)CC2)nnc1Cl
InChIInChI=1S/C10H14ClF3N6O/c11-7-8(15)16-9(18-17-7)20-3-1-19(2-4-20)5-6-21-10(12,13)14/h1-6H2,(H2,15,16,18)
InChIKeyGVSHAZUWUMBJMN-UHFFFAOYSA-N
XLogP0.77
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine (CID 118166188) is 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine is Nc1nc(N2CCN(CCOC(F)(F)F)CC2)nnc1Cl.
What is the InChIKey of 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is GVSHAZUWUMBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N6O/c11-7-8(15)16-9(18-17-7)20-3-1-19(2-4-20)5-6-21-10(12,13)14/h1-6H2,(H2,15,16,18).
What are the key properties of 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 326.71 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 118166188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).